[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O6/c24-18(20-11-14-5-1-2-6-19(14)29-20)13-28-21(25)16-12-15(23(26)27)7-8-17(16)22-9-3-4-10-22/h1-2,5-8,11-12H,3-4,9-10,13H2